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Information card for entry 1500023
Preview
| Coordinates | 1500023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H41 Co N4 O8 |
|---|---|
| Calculated formula | C28 H41 Co N4 O8 |
| SMILES | [Co]12(OC(=O)c3ccc(C)cc3)(OC(=O)c3ccc(C)cc3)([NH2]CC[NH2]1)[NH2]CC[NH2]2.c1(C(=O)[O-])ccc(C)cc1.O.O |
| Title of publication | First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate |
| Authors of publication | Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas |
| Journal of publication | Inorganic Chemistry Communications |
| Year of publication | 2006 |
| Journal volume | 9 |
| Pages of publication | 1075 - 1078 |
| a | 36.332 ± 0.002 Å |
| b | 9.1289 ± 0.0005 Å |
| c | 19.2431 ± 0.0011 Å |
| α | 90° |
| β | 103.487 ± 0.001° |
| γ | 90° |
| Cell volume | 6206.4 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1500023.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1500023.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1500023.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1500023.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
1500023.cif |
| 457 | 2008-10-13 | Depositing files from Acta-Cryst-B-2008_02-04, Acta-Cryst-C-2008_03-08, and personal contributions. |
1500023.cif |
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